6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-phenylethylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile

Systemtic Name: 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-phenylethylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-phenylethylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-phenylethylthio)-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-phenylethylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-phenylethylthio)-4-(trifluoromethyl)nicotinonitrile Formula: C23H17F3N2O2S MolecularWeight: 442.45349

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)SC2=C(C(=CC(=N2)C3=CC4=C(C=C3)OCCO4)C(F)(F)F)C#N

Isomeric SMILES

CC(C1=CC=CC=C1)SC2=C(C(=CC(=N2)C3=CC4=C(C=C3)OCCO4)C(F)(F)F)C#N

InChI

InChI=1S/C23H17F3N2O2S/c1-14(15-5-3-2-4-6-15)31-22-17(13-27)18(23(24,25)26)12-19(28-22)16-7-8-20-21(11-16)30-10-9-29-20/h2-8,11-12,14H,9-10H2,1H3